[[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite

C15H15ClFN3O2 — CID 138508926

IUPAC[[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite
SMILESNc1cc(Cl)c(-c2ccc(C3(CO)CC3)cc2)nc1NOF
InChIInChI=1S/C15H15ClFN3O2/c16-11-7-12(18)14(20-22-17)19-13(11)9-1-3-10(4-2-9)15(8-21)5-6-15/h1-4,7,21H,5-6,8,18H2,(H,19,20)
InChIKeyNSVFHNBBXQVZMN-UHFFFAOYSA-N
MW323.76 g/mol
LogP3.24
Rot. Bonds5

About [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite

[[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite (PubChem CID 138508926) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite.

Molecular Properties

Compound Name[[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite
PubChem CID138508926
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC Name[[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite
SMILESNc1cc(Cl)c(-c2ccc(C3(CO)CC3)cc2)nc1NOF
InChIInChI=1S/C15H15ClFN3O2/c16-11-7-12(18)14(20-22-17)19-13(11)9-1-3-10(4-2-9)15(8-21)5-6-15/h1-4,7,21H,5-6,8,18H2,(H,19,20)
InChIKeyNSVFHNBBXQVZMN-UHFFFAOYSA-N
XLogP3.24
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite?
The IUPAC name of [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite (CID 138508926) is [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite.
What is the SMILES notation for [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite?
The canonical SMILES for [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite is Nc1cc(Cl)c(-c2ccc(C3(CO)CC3)cc2)nc1NOF.
What is the InChIKey of [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite?
The InChIKey is NSVFHNBBXQVZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c16-11-7-12(18)14(20-22-17)19-13(11)9-1-3-10(4-2-9)15(8-21)5-6-15/h1-4,7,21H,5-6,8,18H2,(H,19,20).
What are the key properties of [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite?
[[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite has a molecular weight of 323.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-amino-5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-pyridinyl]amino] hypofluorite is sourced from PubChem (CID 138508926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).